Complexes after comparative docking

Receptor: model based on 1CQ6 chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
PY4_C_3 0.000 7.4 0.88 84.2 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID 1CQ6 Raw